4-[2-(5-methoxycarbonyl-1-methyl-pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate

Systemtic Name: 4-[2-(5-methoxycarbonyl-1-methyl-pyrazol-3-yl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: 4-[2-(5-methoxycarbonyl-1-methyl-pyrazol-3-yl)-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-(5-methoxycarbonyl-1-methyl-3-pyrazolyl)-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate IUPAC Name: 4-[2-(5-methoxycarbonyl-1-methylpyrazol-3-yl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-[2-(5-carbomethoxy-1-methyl-pyrazol-3-yl)-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyrate Formula: C28H27N2O6S- MolecularWeight: 519.58878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NN(C(=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C4=NN(C(=C4)C(=O)OC)C

InChI

InChI=1S/C28H28N2O6S/c1-18-6-4-5-7-21(18)25(10-11-27(31)32)36-26-14-20(35-16-19-12-13-37-17-19)8-9-22(26)23-15-24(28(33)34-3)30(2)29-23/h4-9,12-15,17,25H,10-11,16H2,1-3H3,(H,31,32)/p-1